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467421

Sigma-Aldrich

trans-2-Bromocinnamic acid

95%

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About This Item

Linear Formula:
BrC6H4CH=CHCO2H
CAS Number:
7345-79-1
Molecular Weight:
227.05
MDL number:
MFCD00016836
UNSPSC Code:
12352100
PubChem Substance ID:
24870409

Assay

95%

form

solid

mp

216-219 °C (lit.)

SMILES string

[H]\C(=C(\[H])c1ccccc1Br)C(O)=O

InChI

1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+

InChI key

OMHDOOAFLCMRFX-AATRIKPKSA-N

General description

trans-2-Bromocinnamic acid is an acid. Dissociation equilibrium constant (pKa) of trans-2-bromocinnamic acid and its reactive extraction behavior have been investigated.

Application

trans-2-Bromocinnamic acid may be employed for the syntheisis of fluorescent hEP3R ligands.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

467421-1G:
467421-BULK:
467421-10G:
467421-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Miriam Tomasch et al.
ACS medicinal chemistry letters, 3(9), 774-779 (2012-09-13)
Exchange of the lipophilc part of ortho-substituted cinnamic acid lead structures with different small molecule fluorophoric moieties via a dimethylene spacer resulted in hEP3R ligands with affinities in the nanomolar concentration range. Synthesized compounds emit fluorescence in the blue, green
Prediction of pK a Values of Extractant Using Novel Quantitative Structure-Property Relationship Models.
Shan X, et al.
Journal of Chemical and Engineering Data, 53(2), 331-334 (2008)

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